2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid

C16H22O3 — CID 82090822

IUPAC2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
SMILESCOc1ccc(C)cc1C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22O3/c1-12-6-7-14(19-2)13(10-12)16(11-15(17)18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyXERVXLVVCBWOOY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid

2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid (PubChem CID 82090822) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
PubChem CID82090822
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
SMILESCOc1ccc(C)cc1C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22O3/c1-12-6-7-14(19-2)13(10-12)16(11-15(17)18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyXERVXLVVCBWOOY-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid (CID 82090822) is 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid is COc1ccc(C)cc1C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid?
The InChIKey is XERVXLVVCBWOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-6-7-14(19-2)13(10-12)16(11-15(17)18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid?
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 82090822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).